calcium bis(2-octylphenyl) phosphate

Systemtic Name: calcium bis(2-octylphenyl) phosphate Openeye Name: calcium bis(2-octylphenyl) phosphate CAS Name: calcium bis(2-octylphenyl) phosphate IUPAC Name: calcium bis(2-octylphenyl) phosphate Traditional Name: calcium bis(2-octylphenyl) phosphate Formula: C56H84CaO8P2 MolecularWeight: 987.286882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCC.CCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCC.[Ca+2]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCC.CCCCCCCCC1=CC=CC=C1OP(=O)([O-])OC2=CC=CC=C2CCCCCCCC.[Ca+2]

InChI

InChI=1S/2C28H43O4P.Ca/c2*1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)31-33(29,30)32-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2;/h2*15-18,21-24H,3-14,19-20H2,1-2H3,(H,29,30);/q;;+2/p-2